CAS 898789-91-8

1-(4-chloro-2-fluoro-phenyl)-3-(o-tolyl)propan-1-one

Description:

1-(4-chloro-2-fluoro-phenyl)-3-(o-tolyl)propan-1-one, with the CAS number 898789-91-8, is an organic compound characterized by its complex structure, which includes a propanone backbone substituted with both a 4-chloro-2-fluorophenyl group and an o-tolyl group. This compound typically exhibits properties common to ketones, such as being a polar molecule due to the carbonyl functional group, which can engage in hydrogen bonding with solvents. Its aromatic substituents contribute to its stability and may influence its reactivity, making it potentially useful in various chemical reactions, including those in medicinal chemistry and material science. The presence of halogen atoms (chlorine and fluorine) can enhance its biological activity and lipophilicity, which may affect its pharmacokinetic properties. Additionally, the compound's unique structure may allow for specific interactions in biological systems, making it a candidate for further research in drug development or as a synthetic intermediate in organic synthesis.

Formula: C₁₆H₁₄ClFO

InChI: InChI=1/C16H14ClFO/c1-11-4-2-3-5-12(11)6-9-16(19)14-8-7-13(17)10-15(14)18/h2-5,7-8,10H,6,9H2,1H3

SMILES: Cc1ccccc1CCC(=O)c1ccc(cc1F)Cl

4′-chloro-2′-fluoro-3-(2-methylphenyl)propiophenone

CAS: 898789-91-8

Formula: C₁₆H₁₄ClFO

Purity: 97.0%

Molecular weight: 276.74

Ref: 10-F205655